Analyte Name

Fura PE-3 Potassium Salt

CAS Number

172890-83-4

Molecular Formula

C37H39N5O17 • 4K

Molecular Weight

982.13

Accurate Mass

981.07

SMILES

[K].O=C(O)C=1OC(=NC1)C=2OC=3C=C(C(OCCOC4=CC(=CC=C4N(CC(=O)O)CC(=O)O)CCC(=O)N5CCN(CC(=O)O)CC5)=CC3C2)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C37H39N5O17.K/c43-30(40-7-5-39(6-8-40)16-31(44)45)4-2-21-1-3-23(41(17-32(46)47)18-33(48)49)26(11-21)56-9-10-57-27-12-22-13-28(36-38-15-29(59-36)37(54)55)58-25(22)14-24(27)42(19-34(50)51)20-35(52)53;/h1,3,11-15H,2,4-10,16-20H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55);

IUPAC

2,2'-((2-(2-((6-(bis(carboxymethyl)amino)-2-(5-carboxyoxazol-2-yl)benzofuran-5-yl)oxy)ethoxy)-4-(3-(4-(carboxymethyl)piperazin-1-yl)-3-oxopropyl)phenyl)azanediyl)diacetic acid, potassium salt

Alternate CAS Number

Free Base: 780015-48-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat